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A hierarchical, component based molecule builder.

copied from cf-staging / mbuild

Installers

Info: This package contains files in non-standard labels.
  • noarch v1.0.0

conda install

To install this package run one of the following:
conda install conda-forge::mbuild
conda install conda-forge/label/cf202003::mbuild

Description

With just a few lines of mBuild code, you can assemble reusable components into complex molecular systems for molecular dynamics simulations. mBuild is designed to minimize or even eliminate the need to explicitly translate and orient components when building systems: you simply tell it to connect two pieces! mBuild also keeps track of the system's topology so you don't have to worry about manually defining bonds when constructing chemically bonded structures from smaller components.


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